SCHEMBL9141227

SCHEMBL9141227

CC1[C@@H]2CCC3=CC(=O)[C@@H](C)C[C@@H]3[C@H]2CC[C@]1(C)[C@H](C)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SERPINA6 P08185 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SHBG P04278 2/20 0.37
▸ SLC22A1 O15245 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CYP19A1 P11511 4/20 0.37
▸ PGR P06401 3/20 0.35
▸ LMNA P02545 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ ABCB11 O95342 2/20 0.34
▸ ESR1 P03372 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ AR P10275 1/20 0.33
▸ ESR2 Q92731 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9141220 1.00 SERPINA6 (0.37) SERPINA6ALDH1A1SHBGSLC22A1THRB
SCHEMBL9138336 0.83 CYP19A1 (0.55) SERPINA6ALDH1A1SHBGSLC22A1THRB
SCHEMBL9138309 0.83 CYP19A1 (0.55) SERPINA6ALDH1A1SHBGSLC22A1THRB
SCHEMBL9139808 0.80 CYP19A1 (0.31) CYP19A1
SCHEMBL9136100 0.80 SERPINA6 (0.41) SERPINA6ALDH1A1SHBGSLC22A1THRB
SCHEMBL9136097 0.80 SERPINA6 (0.41) SERPINA6ALDH1A1SHBGSLC22A1THRB
SCHEMBL9138461 0.80 SERPINA6 (0.41) SERPINA6ALDH1A1SHBGSLC22A1THRB
SCHEMBL9138463 0.80 SERPINA6 (0.41) SERPINA6ALDH1A1SHBGSLC22A1THRB
SCHEMBL7702311 0.74 CYP19A1 (0.67) SERPINA6ALDH1A1SHBGCYP19A1LMNA
SCHEMBL16188590 0.74 SHBG (0.69) SERPINA6ALDH1A1SHBGSLC22A1THRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5478862-A Having progestational activity with minimum ancillary hormonal activity; antiovulation agents SRI INTERNATIONAL (US) 1995-12-26 — — US disclosed
EP-0500899-B1 NOVEL 15,16-SECO-19-NOR PROGESTINS STANFORD RES INST INT (US) 1995-10-18 — — EP disclosed
US-5321044-A Ovulation suppression SRI INTERNATIONAL (US) 1994-06-14 — — US disclosed
EP-0500899-A1 NOVEL 15,16-SECO-19-NOR PROGESTINS. STANFORD RES INST INT (US) 1992-09-02 — — EP disclosed
US-5116865-A Antifertility Agents SRI INTERNATIONAL, A CORP OF CA 1992-05-26 — — US disclosed
WO-1992004309-A1 NOVEL 15,16-SECO-19-NOR PROGESTINS SRI INTERNATIONAL (US) 1992-03-19 — — WO disclosed
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